(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o571-o573 [ doi:10.1107/S1600536804005410 ]

N-(10-Bromoanthracen-9-ylmethyl)-N-[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzyl]methylamine at 240 K

D. A. Barkhuizen, R. A. Howie, G. E. M. Maguire and M. Rademeyer

Key indicators

Single-crystal X-ray study
T = 240 K
Mean (C-C) = 0.003 Å
R factor = 0.038
wR factor = 0.085
Data-to-parameter ratio = 25.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.55       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.76 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.11 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C22    -   C23     ..       5.84 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C25    -   C28     ..       5.29 su    
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C25     
PLAT410_ALERT_2_C Short Intra H...H Contact  H2     ..  H15B    ..       1.98 Ang.  

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.550
            Tmax scaled      0.550 Tmin scaled      0.499

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   8 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion